methyl 2-methylsulfanylpyrimidine-5-carboxylate


Chemical Name: methyl 2-methylsulfanylpyrimidine-5-carboxylate
CAS Number: 38275-41-1
Product Number: AG00BZJ2(AGN-PC-0NHGEX)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O2S
Molecular Weight: 184.2156

Identification/Properties


Computed Properties
Molecular Weight:
184.213g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
184.031g/mol
Monoisotopic Mass:
184.031g/mol
Topological Polar Surface Area:
77.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
158
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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